NAME
SCALE – Periodic temperature scaling |
SYNOPSIS
SCALE fscale |
DESCRIPTION
Use this command for periodically re-scale the
temperature with frequency fscale in units of femtoseconds.
Scaling stands here for random initialization of the system
velocities at temperature temp according to a Gaussian
distribution. |
EXAMPLES
SCALE 100.0
Reinitialize the system velocities every 100 fs. |
WARNINGS
Work only during the rejection phase (see REJECT in environment &RUN).
|
